SCHEMBL2803974

SCHEMBL2803974

Nc1ncc2c(n1)-c1ccccc1C1(CCN(C3CCN(Cc4ccccc4)C3)CC1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SIGMAR1 Q99720 5/20 0.36
SLC18A3 Q16572 2/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 3/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM3 P20309 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2808234 0.95 HRH3 (0.40) FGFR1FGFR2HRH3SIGMAR1MAPK14
SCHEMBL2804165 0.83 KDM4E (0.41) FGFR1FGFR2HRH3MAPK14ALDH1A1
SCHEMBL2805415 0.73 SIGMAR1 (0.46) SIGMAR1ALDH1A1CYP3A4TP53CYP1A2
SCHEMBL2803972 0.73 CXCR4 (0.46) CYP3A4JAK1MAPK1MALT1BCHE
SCHEMBL2808232 0.71 ACHE (0.45) HRH3ALDH1A1TSHRCYP2C19CYP2C9
SCHEMBL2802601 0.67 SIGMAR1 (0.47) SIGMAR1ALDH1A1KDM4ECYP3A4TP53
SCHEMBL2805196 0.67 SIGMAR1 (0.50) SIGMAR1ALDH1A1KDM4EPOLBCYP3A4
SCHEMBL2803730 0.67 SIGMAR1 (0.45) SIGMAR1ALDH1A1CYP3A4TP53CYP1A2
SCHEMBL2805765 0.67 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP3A4TP53CYP1A2
SCHEMBL2801907 0.67 PLK1 (0.44) SIGMAR1ALDH1A1CYP3A4TP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FGFR1 530/4885FGFR2 511/4885HRH3 1018/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.